Cas no 5788-94-3 (Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-22,27-dihydroxy-1-oxo-, d-lactone, (5b,6b,22R)- (9CI))
5788-94-3 structure
Product Name:Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-22,27-dihydroxy-1-oxo-, d-lactone, (5b,6b,22R)- (9CI)
Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-22,27-dihydroxy-1-oxo-, d-lactone, (5b,6b,22R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-22,27-dihydroxy-1-oxo-, d-lactone, (5b,6b,22R)- (9CI)
- (22R)-5,6β-Epoxy-22,27-dihydroxy-1-oxo-5β-ergosta-2,24-dien-26-oic acid δ-lactone
- Jaborosalactone A
- (+)-3-[3-[N-[4,5-dimethoxybenzocyclobutan-1(S)-ylmethyl]-N-methylamino]propyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-2-one hydrochloride
- 3-{3-[{[(7S)-3,4-dimethoxybicyclo[4,2,0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino]-propyl}-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one hydrochloride
- Coralan
- Ivabradine HCl
- Ivabradine hydrochloride
- Iva-Val-StaP-OEt
- Procoralan (TN)
- S-16257
- UNII-TP19837BZK
- DTXSID70973479
- 27-hydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione
- 5788-94-3
- NSC109437
- NSC-109437
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- Inchi: 1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3
- InChI Key: PQCMITGKFWXOBO-UHFFFAOYSA-N
- SMILES: O1C2CC3C4CCC(C(C)C5CC(C)=C(CO)C(=O)O5)C4(C)CCC3C3(C(C=CCC132)=O)C
Computed Properties
- Exact Mass: 454.27192431g/mol
- Monoisotopic Mass: 454.27192431g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 33
- Rotatable Bond Count: 3
- Complexity: 965
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 10
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.9
- Topological Polar Surface Area: 76.1?2
Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-22,27-dihydroxy-1-oxo-, d-lactone, (5b,6b,22R)- (9CI) Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Withanolides and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Withanolides and derivatives
- Natural Products and Extracts Plant Extracts Plant based Jaborosa integrifolia
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